[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C22H24ClN3O6S MolecularWeight: 493.96046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)Cl

InChI

InChI=1S/C22H24ClN3O6S/c23-18-10-7-16(13-19(18)33(30,31)26-11-3-1-2-4-12-26)22(29)32-14-20(27)25-17-8-5-15(6-9-17)21(24)28/h5-10,13H,1-4,11-12,14H2,(H2,24,28)(H,25,27)